3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid

C10H14N2O3S — CID 114914681

IUPAC3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)CN(C)C
InChIInChI=1S/C10H14N2O3S/c1-6-5-16-9(10(14)15)8(6)11-7(13)4-12(2)3/h5H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyXHDOYWIMOGFAHJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.25
Rot. Bonds4

About 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid

3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914681) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914681
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)CN(C)C
InChIInChI=1S/C10H14N2O3S/c1-6-5-16-9(10(14)15)8(6)11-7(13)4-12(2)3/h5H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyXHDOYWIMOGFAHJ-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
CID 114914709
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914845
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914797
3-[(2-butylsulfanylacetyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114915023
4-methyl-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]thiophene-2-carboxylic acid
CID 114915014
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915102
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914874
4-methyl-3-[(3-methyl-2-propan-2-ylbutanoyl)amino]thiophene-2-carboxylic acid
CID 114282186
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915099
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid (CID 114914681) is 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)CN(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is XHDOYWIMOGFAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-5-16-9(10(14)15)8(6)11-7(13)4-12(2)3/h5H,4H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).